SCHEMBL7701997

SCHEMBL7701997

O=C(O)CNC(=S)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ABAT P80404 1/20 0.56
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX12 P18054 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CES1 P23141 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGLL Q99685 1/20 0.45
KEAP1 Q14145 1/20 0.45
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10436205 0.85 POLB (0.69) POLBALDH1A1SMN1; SMN2ALOX12GAA
SCHEMBL9489778 0.81 ALDH1A1 (0.52) ABATALDH1A1SMN1; SMN2ALOX12KMT2A
SCHEMBL8596365 0.79 MEN1 (0.57) ABATALDH1A1SMN1; SMN2ALOX12GAA
Hippuric Acid SCHEMBL7486 0.78 GAA (0.68) POLBSMN1; SMN2GAAKDM4EMAPT
SCHEMBL22030672 0.78 GAA (0.68) POLBSMN1; SMN2GAAKDM4EMAPT
Hippuric Acid SCHEMBL428479 0.78 GAA (0.68) POLBSMN1; SMN2GAAKDM4EMAPT
SCHEMBL7701085 0.78 LMNA (0.52) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL28664923 0.77 ALDH1A1 (0.78) POLBABATALDH1A1SMN1; SMN2ALOX12
SCHEMBL6085598 0.77 PTPRC (0.49) POLBALDH1A1KDM4ETDP1MGLL
SCHEMBL4509905 0.77 PPID (0.57) POLBALDH1A1SMN1; SMN2GAAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed